Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study

Dupraz, M.; Beutier, G.; Rodney, D.; Mordehai, D.; Verdier, M.

doi:10.1107/S1600576715005324

Figure 9
(a) Defect-free copper spherical crystal with r = 14.1 nm. Corresponding CXD patterns with g||b (g = $[2 {\overline 2} 0]$ ) for the sphere (b) and the reference copper crystal in a Wulff geometry (c). (d) Perfect screw dislocation with b = $[\textstyle{1\over2}]$ [ $[1 {\overline 1} 0]$ ] at the centre of the section in the same spherical crystal. The colour scale shows the u_x component of the atomic displacement field. Corresponding CXD patterns with g||b (g = $[2 {\overline 2} 0]$ ) for a sphere (e) and a Wulff crystal (f). (g) Perfect edge dislocation with b = $[\textstyle{1\over2}]$ [1 $[\overline1]$ 0] in the same crystal. Corresponding CXD patterns with g||b (g = $[2 {\overline 2} 0]$ ) for a sphere (h) and a Wulff crystal (i). (j) Dissociation of the perfect dislocation into two Shockley partials in the (111) plane with $[{\bf b_{\rm p1}}]$ = $[\textstyle{1\over6}]$ [ $[1 {\overline 2} 1]$ ] and $[{\bf b_{\rm p2}}]$ = $[\textstyle{1\over6}]$ [ $[2 {\overline 1} {\overline 1}]$ ] in the same crystal. Corresponding CXD patterns with g·b = 0 (g = 224) for a sphere (k) and a Wulff crystal (l). The selected area of the reciprocal space is kept to the same value in all figures and is equal to 0.045 × 0.0675 Å⁻¹.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 48| Part 3| June 2015| Pages 621-644

https://doi.org/10.1107/S1600576715005324

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